P532-0200 Screening compound: 1-ethyl-N~3~-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-1H-pyrazole-3-carboxamide

P532-0200 Screening compound: 1-ethyl-N~3~-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-1H-pyrazole-3-carboxamide
P532-0200 Screening compound: 1-ethyl-N~3~-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P532-0200
1-ethyl-N~3~-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-1H-pyrazole-3-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

P532-0200

Molecular Formula

C21H24FN5O3S (C21 H24 FN5 O3 S)

Compound Name

1-ethyl-N~3~-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-1H-pyrazole-3-carboxamide

IUPAC name

1-ethyl-N-{1-[5-(4-fluorophenyl)-4-methyl-11-dioxo-1lambda62-thiazol-3-yl]piperidin-4-yl}-1H-pyrazole-3-carboxamide

SMILES

CCn(cc1)nc1C(NC(CC1)CCN1C(C(C)=C1c(cc2)ccc2F)=NS1(=O)=O)=O

InChI

InChI=1S/C21H24FN5O3S/c1-3-27-13-10-18(24-27)21(28)23-17-8-11-26(12-9-17)20-14(2)19(31(29,30)25-20)15-4-6-16(22)7-5-15/h4-7,10,13,17H,3,8-9,11-12H2,1-2H3,(H,23,28)

InChI Key

ICWRGVWBOIYEMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.984

Distribution Coefficient, logD

1.984

Water Solubility, LogSw

-2.55

Polar Surface Area

81.462

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

P532-0200 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P532-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P532-0200?
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What is the minimum amount of P532-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P532-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P532-0200
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of P532-0200 available by request